# generated using pymatgen
data_Mn2CrNi2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35397287
_cell_length_b   9.71302822
_cell_length_c   13.64446835
_cell_angle_alpha   103.45069832
_cell_angle_beta   90.00001441
_cell_angle_gamma   90.00012647
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrNi2H32C12(NO2)6
_chemical_formula_sum   'Mn4 Cr2 Ni4 H64 C24 N12 O24'
_cell_volume   1205.66995355
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.09303966  0.85985066  0.73338041  1
  Mn  Mn1  1  0.59303898  0.64014674  0.76661928  1
  Mn  Mn2  1  0.90695973  0.14015614  0.26662080  1
  Mn  Mn3  1  0.40696091  0.35984789  0.23338114  1
  Ni  Ni4  1  0.94126431  0.54955804  0.72993323  1
  Ni  Ni5  1  0.44126565  0.95044080  0.77006834  1
  Ni  Ni6  1  0.05873841  0.45043991  0.27006335  1
  Ni  Ni7  1  0.55873762  0.04956158  0.22993350  1
  Cr  Cr8  1  -0.00000028  1.00000047  1.00000049  1
  Cr  Cr9  1  0.50000055  0.49999948  0.49999968  1
  H  H10  1  0.19363231  0.19513279  0.08881040  1
  H  H11  1  0.69363292  0.30486960  0.41118950  1
  H  H12  1  0.80636330  0.80487030  0.91119027  1
  H  H13  1  0.30636162  0.69512732  0.58880885  1
  H  H14  1  0.27797979  0.09995987  0.98602248  1
  H  H15  1  0.77797971  0.40004214  0.51397763  1
  H  H16  1  0.72202020  0.90004291  0.01398076  1
  H  H17  1  0.22202190  0.59995519  0.48601795  1
  H  H18  1  0.58226002  0.38312380  0.86870417  1
  H  H19  1  0.08226178  0.11687241  0.63129761  1
  H  H20  1  0.41774163  0.61688073  0.13129758  1
  H  H21  1  0.91774070  0.88312206  0.36870058  1
  H  H22  1  0.46859576  0.16740429  0.89408734  1
  H  H23  1  -0.03140996  0.33258829  0.60591775  1
  H  H24  1  0.53141116  0.83259147  0.10591623  1
  H  H25  1  1.03141852  0.66741574  0.39407654  1
  H  H26  1  0.75804741  0.03233192  0.85297955  1
  H  H27  1  0.25804526  0.46766691  0.64702422  1
  H  H28  1  0.24195676  0.96767312  0.14702003  1
  H  H29  1  0.74195907  0.53232770  0.35297760  1
  H  H30  1  0.91101081  0.08966245  0.79645584  1
  H  H31  1  0.41101009  0.41033840  0.70354724  1
  H  H32  1  0.08899296  0.91034545  0.20354509  1
  H  H33  1  0.58899355  0.58965462  0.29645314  1
  H  H34  1  0.20803810  0.33385303  0.97164837  1
  H  H35  1  0.70803698  0.16614686  0.52834969  1
  H  H36  1  0.79196194  0.66614640  0.02835309  1
  H  H37  1  0.29196391  0.83385650  0.47164940  1
  H  H38  1  0.16894562  0.18536400  0.87344722  1
  H  H39  1  0.66895393  0.31463410  0.62655219  1
  H  H40  1  0.83104588  0.81463848  0.12655342  1
  H  H41  1  0.33103696  0.68536335  0.37344696  1
  H  H42  1  0.58448227  0.36753722  0.04478164  1
  H  H43  1  0.08448423  0.13246131  0.45522048  1
  H  H44  1  0.41551559  0.63246236  0.95521880  1
  H  H45  1  0.91551381  0.86754228  0.54477900  1
  H  H46  1  0.74123869  0.44126518  0.00699996  1
  H  H47  1  0.24124243  0.05873608  0.49300292  1
  H  H48  1  0.25876056  0.55873671  0.99300475  1
  H  H49  1  0.75875759  0.94126398  0.50699065  1
  H  H50  1  0.80067573  0.26330620  0.10176037  1
  H  H51  1  0.30067689  0.23669511  0.39824248  1
  H  H52  1  0.19932117  0.73669084  0.89823976  1
  H  H53  1  0.69932057  0.76331085  0.60175751  1
  H  H54  1  0.69401279  0.13335331  0.02297963  1
  H  H55  1  0.19401363  0.36664752  0.47702445  1
  H  H56  1  0.30598075  0.86664704  0.97701991  1
  H  H57  1  0.80598180  0.63335547  0.52297855  1
  H  H58  1  0.80853450  0.32004844  0.79981049  1
  H  H59  1  0.30853597  0.17994889  0.70019128  1
  H  H60  1  0.19146809  0.67995497  0.20018990  1
  H  H61  1  0.69146781  0.82004599  0.29980739  1
  H  H62  1  0.68369084  0.18500720  0.74795821  1
  H  H63  1  0.18369394  0.31498981  0.75204537  1
  H  H64  1  0.31630854  0.81499794  0.25204434  1
  H  H65  1  0.81630762  0.68500236  0.24795270  1
  H  H66  1  0.96869035  0.42790145  0.10543589  1
  H  H67  1  0.46869117  0.07209704  0.39455998  1
  H  H68  1  0.03131685  0.57209441  0.89454794  1
  H  H69  1  0.53132069  0.92790947  0.60545660  1
  H  H70  1  0.96627022  0.37344428  0.92637753  1
  H  H71  1  0.46627442  0.12655696  0.57362792  1
  H  H72  1  0.03372339  0.62654875  0.07361986  1
  H  H73  1  0.53372121  0.87344888  0.42637576  1
  C  C74  1  0.82451629  0.12442988  0.85102421  1
  C  C75  1  0.32451519  0.37556924  0.64897812  1
  C  C76  1  0.17548824  0.87557493  0.14897598  1
  C  C77  1  0.67549043  0.62442453  0.35102276  1
  C  C78  1  0.14175982  0.23778554  0.95191015  1
  C  C79  1  0.64176346  0.26221498  0.54808985  1
  C  C80  1  0.85823945  0.76221418  0.04809153  1
  C  C81  1  0.35823997  0.73778518  0.45190752  1
  C  C82  1  0.67693914  0.34297966  0.99397644  1
  C  C83  1  0.17694107  0.15701951  0.50602611  1
  C  C84  1  0.32305947  0.65702076  0.00602478  1
  C  C85  1  0.82305738  0.84298092  0.49397181  1
  C  C86  1  0.76085130  0.22619256  0.02493172  1
  C  C87  1  0.26085310  0.27380858  0.47507154  1
  C  C88  1  0.23914507  0.77380820  0.97506950  1
  C  C89  1  0.73914478  0.72619303  0.52492820  1
  C  C90  1  0.73782026  0.23797868  0.81789420  1
  C  C91  1  0.23782255  0.26201962  0.68210867  1
  C  C92  1  0.26218037  0.76202644  0.18210762  1
  C  C93  1  0.76218034  0.73797368  0.31789054  1
  C  C94  1  0.99093179  0.27983881  0.95746926  1
  C  C95  1  0.49093205  0.22016334  0.54253462  1
  C  C96  1  0.00906308  0.72016920  0.04253812  1
  C  C97  1  0.50905986  0.77982704  0.45745821  1
  N  N98  1  0.88279259  0.17747736  0.95512500  1
  N  N99  1  0.38279491  0.32252305  0.54487809  1
  N  N100  1  0.11720458  0.82252145  0.04487714  1
  N  N101  1  0.61720347  0.67747752  0.45512022  1
  N  N102  1  0.17824460  0.13879482  0.01538505  1
  N  N103  1  0.67824478  0.36120638  0.48461460  1
  N  N104  1  0.82175289  0.86120589  0.98461464  1
  N  N105  1  0.32175154  0.63879218  0.51538500  1
  N  N106  1  0.62872159  0.29864999  0.89071862  1
  N  N107  1  0.12872181  0.20134864  0.60928375  1
  N  N108  1  0.37128229  0.70135493  0.10928208  1
  N  N109  1  0.87128212  0.79864600  0.39071522  1
  O  O110  1  0.05705819  0.90387239  0.86073836  1
  O  O111  1  0.55706238  0.59612942  0.63926040  1
  O  O112  1  0.94293854  0.09613020  0.13926317  1
  O  O113  1  0.44293624  0.40386887  0.36073970  1
  O  O114  1  0.01285852  0.97653425  0.67809531  1
  O  O115  1  0.51285926  0.52346018  0.82190180  1
  O  O116  1  0.98713598  0.02347393  0.32190855  1
  O  O117  1  0.48713563  0.47653454  0.17809731  1
  O  O118  1  0.89112519  0.40365962  0.61609692  1
  O  O119  1  0.39112464  0.09633896  0.88390583  1
  O  O120  1  0.10887644  0.59633823  0.38389657  1
  O  O121  1  0.60887553  0.90366359  0.11609885  1
  O  O122  1  0.03674160  0.69330758  0.67754415  1
  O  O123  1  0.53673745  0.80668794  0.82245668  1
  O  O124  1  0.96326081  0.30669770  0.32245982  1
  O  O125  1  0.46326588  0.19330821  0.17754056  1
  O  O126  1  0.27227260  0.85052520  0.70827861  1
  O  O127  1  0.77227151  0.64947564  0.79172348  1
  O  O128  1  0.72772605  0.14948413  0.29172466  1
  O  O129  1  0.22772811  0.35051542  0.20827492  1
  O  O130  1  0.03164226  0.48896832  0.83800501  1
  O  O131  1  0.53164228  1.01102844  0.66199288  1
  O  O132  1  0.96836048  0.51101709  0.16198790  1
  O  O133  1  0.46835688  -0.01102064  0.33800600  1
